2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine

C14H23N3S — CID 111496120

IUPAC2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C)Sc1ccccc1
InChIInChI=1S/C14H23N3S/c1-4-10-16-14(15-3)17-11-12(2)18-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,15,16,17)
InChIKeyHRFSFWUZZUSHOZ-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine

2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine (PubChem CID 111496120) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine
PubChem CID111496120
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C)Sc1ccccc1
InChIInChI=1S/C14H23N3S/c1-4-10-16-14(15-3)17-11-12(2)18-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,15,16,17)
InChIKeyHRFSFWUZZUSHOZ-UHFFFAOYSA-N
XLogP2.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111496077
1-(2-cyclopropylethyl)-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111986414
2-methyl-1-(2-phenylsulfanylpropyl)-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111496127
2-methyl-1-(2-phenylsulfanylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
CID 111677222
2-methyl-1-(2-phenylsulfanylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111496099
2-methyl-1-(2-phenylsulfanylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111496171
1-(cyclopropylmethyl)-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111677339
N-[2-[[N'-methyl-N-(2-phenylsulfanylpropyl)carbamimidoyl]amino]ethyl]cyclohexanecarboxamide
CID 111677056
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111676655
N-benzyl-N-methyl-3-[[N'-methyl-N-(2-phenylsulfanylpropyl)carbamimidoyl]amino]propanamide
CID 111676950
1-ethyl-2-(2-phenylsulfanylpropyl)-3-propylguanidine
CID 111496122
2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111465730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine?
The IUPAC name of 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine (CID 111496120) is 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine?
The canonical SMILES for 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine is CCCN/C(=N\C)NCC(C)Sc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine?
The InChIKey is HRFSFWUZZUSHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-10-16-14(15-3)17-11-12(2)18-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine?
2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine has a molecular weight of 265.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylsulfanylpropyl)-3-propylguanidine is sourced from PubChem (CID 111496120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).